1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one

C17H26N4O — CID 56778212

IUPAC1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one
SMILESNc1cc2c(nn1)CCN(C(=O)CCCC1CCCCC1)C2
InChIInChI=1S/C17H26N4O/c18-16-11-14-12-21(10-9-15(14)19-20-16)17(22)8-4-7-13-5-2-1-3-6-13/h11,13H,1-10,12H2,(H2,18,20)
InChIKeySNTYJUUCAYWTIG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.69
Rot. Bonds4

About 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one

1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one (PubChem CID 56778212) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one
PubChem CID56778212
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one
SMILESNc1cc2c(nn1)CCN(C(=O)CCCC1CCCCC1)C2
InChIInChI=1S/C17H26N4O/c18-16-11-14-12-21(10-9-15(14)19-20-16)17(22)8-4-7-13-5-2-1-3-6-13/h11,13H,1-10,12H2,(H2,18,20)
InChIKeySNTYJUUCAYWTIG-UHFFFAOYSA-N
XLogP2.69
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one?
The IUPAC name of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one (CID 56778212) is 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one.
What is the SMILES notation for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one?
The canonical SMILES for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one is Nc1cc2c(nn1)CCN(C(=O)CCCC1CCCCC1)C2.
What is the InChIKey of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one?
The InChIKey is SNTYJUUCAYWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c18-16-11-14-12-21(10-9-15(14)19-20-16)17(22)8-4-7-13-5-2-1-3-6-13/h11,13H,1-10,12H2,(H2,18,20).
What are the key properties of 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one?
1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-4-cyclohexylbutan-1-one is sourced from PubChem (CID 56778212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).